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Name |
Ethoxybenzamide |
EINECS | 248-183-8 |
CAS No. | 27043-22-7 | Density | 1.111g/cm3 |
PSA | 52.32000 | LogP | 1.88450 |
Solubility | <0.1 g/100 mL at 16℃ | Melting Point |
129-134℃ |
Formula | C9H11NO2 | Boiling Point | 302 °C at 760 mmHg |
Molecular Weight | 165.191 | Flash Point | 153.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ethoxybenzamide; |
The Ethoxybenzamide, with cas registry number 27043-22-7, has the systematic name of 2-ethoxybenzamide. Besides this, it is also called benzamide, 2-ethoxy-. And its EINECS is 248-183-8. What's more, its system generated number is 0027043227.
Physical properties about this chemical are: (1)ACD/LogP: 1.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.4; (4)ACD/LogD (pH 7.4): 1.4; (5)ACD/BCF (pH 5.5): 6.84; (6)ACD/BCF (pH 7.4): 6.84; (7)ACD/KOC (pH 5.5): 137.83; (8)ACD/KOC (pH 7.4): 137.83; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 46.49 cm3; (15)Molar Volume: 148.6 cm3; (16)Polarizability: 18.43×10-24cm3; (17)Surface Tension: 41.8 dyne/cm; (18)Enthalpy of Vaporization: 54.21 kJ/mol; (19)Vapour Pressure: 0.00102 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1OCC)N
(2)InChI: InChI=1/C9H11NO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H2,10,11)
(3)InChIKey: SBNKFTQSBPKMBZ-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C9H11NO2/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H2,10,11)
(5)Std. InChIKey: SBNKFTQSBPKMBZ-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 1330mg/kg (1330mg/kg) | Oyo Yakuri. Pharmacometrics. Vol. 16, Pg. 549, 1978 |